N-(2-chlorophenyl)-N'-[(Z)-(4-cyanophenyl)methylideneamino]butanediamide
Formula:C18H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-N'-[(Z)-(4-cyanophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(2-chlorophenyl)-N'-[(Z)-(4-cyanophenyl)methylideneamino]butanediamide |
| MolecularFormula | C18H15N4O2Cl |
| Smiles | N#Cc1ccc(/C=N\NC(CCC(Nc(cccc2)c2Cl)=O)=O)cc1 |
| InChI | InChI=1S/C18H15ClN4O2/c19-15-3-1-2-4-16(15)22-17(24)9-10-18(25)23-21-12-14-7-5-13(11-20)6-8-14/h1-8,12H,9-10H2,(H,22,24)(H,23,25) |
| InChIK | LWJMGOLWLNPTJF-UHFFFAOYSA-N |
| TotalMolweight | 354.796 |
| Molweight | 354.796 |
| MonoisotopicMass | 354.088353 |
| CLogP | 3.4943 |
| CLogS | -5.574 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.85 |
| Relative PSA | 0.26374 |
| PolarSurfaceArea | 94.35 |
| Druglikeness | -0.6588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-N'-[(Z)-(4-cyanophenyl)methylideneamino]butanediamide | 2 - N-(2-chlorophenyl)-N'-[(Z)-(4-cyanophenyl)methylideneamino]butanediamide
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